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Information card for entry 7036645
Preview
| Coordinates | 7036645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66.5 H149.5 N5 O0.25 P8 Ru2 S8 |
|---|---|
| Calculated formula | C64 H144 N5 P8 Ru2 S8 |
| SMILES | C(C)(C)(C)P1(C(C)(C)C)=NP(C(C)(C)C)(=[S][Ru]2(=N[Ru]34([S]=P(C(C)(C)C)(C(C)(C)C)N=P(C(C)(C)C)(S3)C(C)(C)C)[S]=P(N=P(S4)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(S1)[S]=P(N=P(S2)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands. |
| Authors of publication | Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 42 |
| Pages of publication | 18459 - 18468 |
| a | 22.7799 ± 0.0004 Å |
| b | 15.6193 ± 0.0003 Å |
| c | 27.8342 ± 0.0005 Å |
| α | 90° |
| β | 102.879 ± 0.0018° |
| γ | 90° |
| Cell volume | 9654.4 ± 0.3 Å3 |
| Cell temperature | 99.97 ± 0.11 K |
| Ambient diffraction temperature | 99.97 ± 0.11 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7036645.cif |
| 171269 | 2015-12-09 | cif/ Updating files of 7036640, 7036641, 7036642, 7036643, 7036644, 7036645 Original log message: Adding full bibliography for 7036640--7036645.cif. |
7036645.cif |
| 158291 | 2015-09-25 | cif/ Adding structures of 7036640, 7036641, 7036642, 7036643, 7036644, 7036645 via cif-deposit CGI script. |
7036645.cif |
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Users of the data should acknowledge the original authors of the
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